1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-ylidene]-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-ylidene]-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-ylidene]-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumylidene]-N'-(4,6-dimethyl-2-pyrimidinyl)methanediamine IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-ylidene]-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine Traditional Name: [amino-(4-piperonylpiperazin-1-ium-1-ylidene)methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N)C

InChI

InChI=1S/C19H24N6O2/c1-13-9-14(2)22-19(21-13)23-18(20)25-7-5-24(6-8-25)11-15-3-4-16-17(10-15)27-12-26-16/h3-4,9-10H,5-8,11-12H2,1-2H3,(H2,20,21,22,23)/p+1